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791125-43-4 | BENZAMIDE, N-(4-CYANOPHENYL)-4-ETHYL-
CAS No: 791125-43-4 Catalog No: AG005BNB MDL No:
Product Description
Catalog Number:
AG005BNB
Chemical Name:
BENZAMIDE, N-(4-CYANOPHENYL)-4-ETHYL-
CAS Number:
791125-43-4
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
IUPAC Name:
N-(4-cyanophenyl)-4-ethylbenzamide
InChI:
InChI=1S/C16H14N2O/c1-2-12-3-7-14(8-4-12)16(19)18-15-9-5-13(11-17)6-10-15/h3-10H,2H2,1H3,(H,18,19)
InChI Key:
KANVXCFOTHIHQM-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(=O)Nc1ccc(cc1)C#N
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.301g/mol
Monoisotopic Mass:
250.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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